Glycoside
GD132768
Name:
methyl 8-methyl-6-oxo-1-({3,4,5-trihydroxy-6-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxan-2-yl}oxy)-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylateFormula:
C25H30O14Smiles:
COC(=O)C1=COC(OC2OC(COC(=O)c3ccc(O)c(OC)c3)C(O)C(O)C2O)C2C(C)OC(=O)CC12Aglycone:
COC(=O)C1=COC(O)C2C(C)OC(=O)CC12.COC(=O)c1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 554.5 | Num_heavy_atoms: | 39 |
| TPSA: | 196.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD36289
Formula: C11H14O6
Smiles:
COC(=O)C1=COC(O)C2C(C)OC(=O)CC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
